1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine

C11H21N3S — CID 66224006

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCCn1nc(C)cc1CSCC(C)(C)N
InChIInChI=1S/C11H21N3S/c1-5-14-10(6-9(2)13-14)7-15-8-11(3,4)12/h6H,5,7-8,12H2,1-4H3
InChIKeyUEFWEONITIJCGS-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.18
Rot. Bonds5

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine

1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 66224006) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine
PubChem CID66224006
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCCn1nc(C)cc1CSCC(C)(C)N
InChIInChI=1S/C11H21N3S/c1-5-14-10(6-9(2)13-14)7-15-8-11(3,4)12/h6H,5,7-8,12H2,1-4H3
InChIKeyUEFWEONITIJCGS-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
2-methyl-1-[(3-methylimidazol-4-yl)methylsulfanyl]propan-2-amine
CID 66222518
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
[1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202931
3-N,3-N-diethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutane-2,3-diamine
CID 79053571
3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66036946
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 83149292
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225595

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine (CID 66224006) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine is CCn1nc(C)cc1CSCC(C)(C)N.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is UEFWEONITIJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-14-10(6-9(2)13-14)7-15-8-11(3,4)12/h6H,5,7-8,12H2,1-4H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine?
1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66224006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).